M/Z: 513.9495

Hit 1 annotations: Perfluorocapric acid_[M]+

在BioDeep NovoCell知识数据库中，参考离子总共被划分为4个级别。

Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
Unreliable: 这个参考离子具有较高的排名价值，但缺乏可重复性。
Unavailable: 由于排名价值低且缺乏可重复性，这个参考离子不应用于注释。

Found 7 Reference Ions Near m/z 513.9495

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000010960 Unreliable	513.9495	513.9495 ~ 513.9495 MzDiff: `none`	Not Annotated	2.8 (%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000010968 Unreliable	513.959	513.959 ~ 513.959 MzDiff: `none`	Barbaleucamide A (BioDeep_00000256464) Formula: C16H20Cl6N2O2S (513.9377)	2.77 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000000435 Unavailable	513.9495	513.9495 ~ 513.9495 MzDiff: `none`	Not Annotated	-0.09 (%)	Mus musculus [CL:0000066] epithelial cell
MSI_000049848 Unreliable	513.9583	513.9583 ~ 513.9583 MzDiff: `none`	Barbaleucamide A (BioDeep_00000256464) Formula: C16H20Cl6N2O2S (513.9377)	1.48 (100%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000050735 Unreliable	513.9583	513.9583 ~ 513.9583 MzDiff: `none`	Barbaleucamide A (BioDeep_00000256464) Formula: C16H20Cl6N2O2S (513.9377)	1.16 (100%)	Mytilus edulis [UBERON:2001856] gill ray
MSI_000027298 Unreliable	513.9586	513.9586 ~ 513.9586 MzDiff: `none`	Perfluorocapric acid (BioDeep_00000018067) Formula: C10HF19O2 (513.9673)	2.03 (100%)	Mus musculus [UBERON:0000913] interstitial fluid
MSI_000000478 Unavailable	513.959	513.959 ~ 513.959 MzDiff: `none`	Barbaleucamide A (BioDeep_00000256464) Formula: C16H20Cl6N2O2S (513.9377)	-0.25 (100%)	Mus musculus [CL:0000066] epithelial cell

Found 2 Sample Hits

Metabolite	Species	Sample
m/z_513.9495 Formula: - (n/a) Adducts: (Ppm: )	Mus musculus (Urinary bladder)	HR2MSI_mouse_urinary_bladder - S096 Resolution: 10μm, 260x134 Description Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset) The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer). R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010) Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+). Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.
Perfluorocapric acid Formula: C10HF19O2 (513.9673) Adducts: [M]+ (Ppm: 17.6)	Mus musculus (Lung)	image1 Resolution: 40μm, 187x165 Description Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

Metabolite

Species

Sample

m/z_513.9495

Formula: - (n/a)
Adducts: (Ppm: )

Mus musculus (Urinary bladder)

HR2MSI_mouse_urinary_bladder - S096

Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

Perfluorocapric acid

Formula: C10HF19O2 (513.9673)
Adducts: [M]+ (Ppm: 17.6)

Mus musculus (Lung)

image1

Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5